4-[[4-[4-[(3,4-dihydroxyphenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]benzene-1,2-diol

C26H22N4O6 — CID 136628846

IUPAC4-[[4-[4-[(3,4-dihydroxyphenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]benzene-1,2-diol
SMILESCOc1cc(-c2ccc(/N=N/c3ccc(O)c(O)c3)c(OC)c2)ccc1/N=N/c1ccc(O)c(O)c1
InChIInChI=1S/C26H22N4O6/c1-35-25-11-15(3-7-19(25)29-27-17-5-9-21(31)23(33)13-17)16-4-8-20(26(12-16)36-2)30-28-18-6-10-22(32)24(34)14-18/h3-14,31-34H,1-2H3/b29-27+,30-28+
InChIKeyXWYGGEDFIGDZES-QAVVBOBSSA-N
MW486.48 g/mol
LogP7.02
Rot. Bonds7

About 4-[[4-[4-[(3,4-dihydroxyphenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]benzene-1,2-diol

4-[[4-[4-[(3,4-dihydroxyphenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]benzene-1,2-diol (PubChem CID 136628846) has the molecular formula C26H22N4O6 and a molecular weight of 486.48 g/mol. Its IUPAC name is 4-[[4-[4-[(3,4-dihydroxyphenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[[4-[4-[(3,4-dihydroxyphenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]benzene-1,2-diol
PubChem CID136628846
Molecular FormulaC26H22N4O6
Molecular Weight486.48 g/mol
Exact Mass486.15
IUPAC Name4-[[4-[4-[(3,4-dihydroxyphenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]benzene-1,2-diol
SMILESCOc1cc(-c2ccc(/N=N/c3ccc(O)c(O)c3)c(OC)c2)ccc1/N=N/c1ccc(O)c(O)c1
InChIInChI=1S/C26H22N4O6/c1-35-25-11-15(3-7-19(25)29-27-17-5-9-21(31)23(33)13-17)16-4-8-20(26(12-16)36-2)30-28-18-6-10-22(32)24(34)14-18/h3-14,31-34H,1-2H3/b29-27+,30-28+
InChIKeyXWYGGEDFIGDZES-QAVVBOBSSA-N
XLogP7.02
TPSA148.82 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.48
LogP ≤ 57.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol
CID 136913309
3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol
CID 136991159
3-[[4-[4-[(1,8-dihydroxy-4-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4,5-dihydroxynaphthalene-1-sulfonic acid
CID 136814817
CID 170841644
CID 170841644
4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline
CID 118049560
3-hydroxy-N-[4-[4-[[hydroxy-(3-hydroxynaphthalen-2-yl)methylidene]amino]-3-methoxyphenyl]-2-methoxyphenyl]naphthalene-2-carboximidic acid
CID 136898811
disodium;5-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-2-hydroxybenzoate;hydron
CID 164511920
(2-methoxy-4-methylphenyl)-[4-[(2-methoxyphenyl)diazenyl]phenyl]diazene
CID 156523555
tetrasodium;3-[[4-[4-[(1,8-dihydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonate
CID 20174
(4-isocyanato-2-methoxyphenyl)-(4-isocyanato-3-methylphenyl)diazene
CID 21242740
4-[[4-[4-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-3-methyl-1-(4-methylphenyl)pyrazol-5-ol
CID 135565459
4-(3,5-dimethylphenyl)-2-methoxyphenol
CID 53220752

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-[(3,4-dihydroxyphenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]benzene-1,2-diol?
The IUPAC name of 4-[[4-[4-[(3,4-dihydroxyphenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]benzene-1,2-diol (CID 136628846) is 4-[[4-[4-[(3,4-dihydroxyphenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]benzene-1,2-diol.
What is the SMILES notation for 4-[[4-[4-[(3,4-dihydroxyphenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]benzene-1,2-diol?
The canonical SMILES for 4-[[4-[4-[(3,4-dihydroxyphenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]benzene-1,2-diol is COc1cc(-c2ccc(/N=N/c3ccc(O)c(O)c3)c(OC)c2)ccc1/N=N/c1ccc(O)c(O)c1.
What is the InChIKey of 4-[[4-[4-[(3,4-dihydroxyphenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]benzene-1,2-diol?
The InChIKey is XWYGGEDFIGDZES-QAVVBOBSSA-N. The full InChI is InChI=1S/C26H22N4O6/c1-35-25-11-15(3-7-19(25)29-27-17-5-9-21(31)23(33)13-17)16-4-8-20(26(12-16)36-2)30-28-18-6-10-22(32)24(34)14-18/h3-14,31-34H,1-2H3/b29-27+,30-28+.
What are the key properties of 4-[[4-[4-[(3,4-dihydroxyphenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]benzene-1,2-diol?
4-[[4-[4-[(3,4-dihydroxyphenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]benzene-1,2-diol has a molecular weight of 486.48 g/mol, XLogP of 7.02, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-[(3,4-dihydroxyphenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]benzene-1,2-diol is sourced from PubChem (CID 136628846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).